2-(2,4-dioxo-1H-quinazolin-3-yl)-N-pyridin-3-ylbutanamide

C17H16N4O3 — CID 4905540

IUPAC2-(2,4-dioxo-1H-quinazolin-3-yl)-N-pyridin-3-ylbutanamide
SMILESCCC(C(=O)Nc1cccnc1)n1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C17H16N4O3/c1-2-14(15(22)19-11-6-5-9-18-10-11)21-16(23)12-7-3-4-8-13(12)20-17(21)24/h3-10,14H,2H2,1H3,(H,19,22)(H,20,24)
InChIKeyNEDXKHCUTGHCSA-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.67
Rot. Bonds4

About 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-pyridin-3-ylbutanamide

2-(2,4-dioxo-1H-quinazolin-3-yl)-N-pyridin-3-ylbutanamide (PubChem CID 4905540) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-pyridin-3-ylbutanamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1H-quinazolin-3-yl)-N-pyridin-3-ylbutanamide
PubChem CID4905540
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name2-(2,4-dioxo-1H-quinazolin-3-yl)-N-pyridin-3-ylbutanamide
SMILESCCC(C(=O)Nc1cccnc1)n1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C17H16N4O3/c1-2-14(15(22)19-11-6-5-9-18-10-11)21-16(23)12-7-3-4-8-13(12)20-17(21)24/h3-10,14H,2H2,1H3,(H,19,22)(H,20,24)
InChIKeyNEDXKHCUTGHCSA-UHFFFAOYSA-N
XLogP1.67
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 91933875
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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-pyridin-3-ylbutanamide?
The IUPAC name of 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-pyridin-3-ylbutanamide (CID 4905540) is 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-pyridin-3-ylbutanamide.
What is the SMILES notation for 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-pyridin-3-ylbutanamide?
The canonical SMILES for 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-pyridin-3-ylbutanamide is CCC(C(=O)Nc1cccnc1)n1c(=O)[nH]c2ccccc2c1=O.
What is the InChIKey of 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-pyridin-3-ylbutanamide?
The InChIKey is NEDXKHCUTGHCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-2-14(15(22)19-11-6-5-9-18-10-11)21-16(23)12-7-3-4-8-13(12)20-17(21)24/h3-10,14H,2H2,1H3,(H,19,22)(H,20,24).
What are the key properties of 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-pyridin-3-ylbutanamide?
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-pyridin-3-ylbutanamide has a molecular weight of 324.34 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-pyridin-3-ylbutanamide is sourced from PubChem (CID 4905540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).